methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate

C11H17N3O3S — CID 110481709

IUPACmethyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
SMILESCCN(CC)C(=O)NCc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)11(16)12-6-9-13-8(7-18-9)10(15)17-3/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyWTOIWAMOHOWMPG-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.48
Rot. Bonds5

About methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate

methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate (PubChem CID 110481709) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
PubChem CID110481709
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate
SMILESCCN(CC)C(=O)NCc1nc(C(=O)OC)cs1
InChIInChI=1S/C11H17N3O3S/c1-4-14(5-2)11(16)12-6-9-13-8(7-18-9)10(15)17-3/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyWTOIWAMOHOWMPG-UHFFFAOYSA-N
XLogP1.48
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[(2-methoxyacetyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110460512
methyl 2-[[benzylcarbamoyl(propyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 811069
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
methyl 2-[[(2-amino-3-methylbutanoyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 110481468
methyl 2-[[ethylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766911
methyl 2-(chloromethyl)-1,3-thiazole-4-carboxylate
CID 25067319
methyl 2-(sulfanylmethyl)-1,3-thiazole-4-carboxylate
CID 165481836
2-[ethyl-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]acetic acid
CID 54962820
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381131
methyl 2-(2-methoxyethyl)-1,3-thiazole-4-carboxylate
CID 115422665
methyl 2-[[tert-butylcarbamoyl(pentyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 42766914
N-[4-[2-[(diethylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate (CID 110481709) is methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate is CCN(CC)C(=O)NCc1nc(C(=O)OC)cs1.
What is the InChIKey of methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate?
The InChIKey is WTOIWAMOHOWMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-4-14(5-2)11(16)12-6-9-13-8(7-18-9)10(15)17-3/h7H,4-6H2,1-3H3,(H,12,16).
What are the key properties of methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate?
methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate has a molecular weight of 271.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(diethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 110481709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).